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Bauschlicher Jr., Charles W
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1

Compound database for gaseous metal hydroxides and oxyhydro..:

Bauschlicher Jr, Charles W. ; Jacobson, Nathan S. ; Bodenschatz, Cameron J.
Calphad.  85 (2024)  - p. 102707 , 2024
Link: https://doi.org/10.1016/..
 
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2

Amide- and Urea-Based Solvents for Li–O2 Batteries. Part I:..:

Knudsen, Kristian B. ; Arrechea, Pedro L. ; Viggiano, Rocco P....
The Journal of Physical Chemistry C.  127 (2023)  15 - p. 7037-7042 , 2023
Link: https://doi.org/10.1021/..
 
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3

Amide and Urea Based Solvents for Li–O2 Batteries. Part II:..:

Mullinax, J. Wayne ; Bauschlicher Jr., Charles W. ; Knudsen, Kristian B....
The Journal of Physical Chemistry C.  127 (2023)  15 - p. 7043-7053 , 2023
Link: https://doi.org/10.1021/..
 
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4

Thermochemistry of SinOx(OH)y Vapor Species from Quantum Ch..:

Bauschlicher Jr., Charles W. ; Jacobson, Nathan S. ; Fegley Jr., Bruce
The Journal of Physical Chemistry A.  127 (2023)  42 - p. 8892-8899 , 2023
Link: https://doi.org/10.1021/..
 
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5

Computational Chemistry Derivation of Cr, Mn, and La Hydrox..:

Bauschlicher Jr., Charles W. ; Jacobson, Nathan S. ; Myers, Dwight L..
The Journal of Physical Chemistry A.  126 (2022)  9 - p. 1551-1561 , 2022
Link: https://doi.org/10.1021/..
 
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6

Modeling Singlet Oxygen-Induced Degradation Pathways Includ..:

Mullinax, J. Wayne ; Bauschlicher Jr., Charles W. ; Lawson, John W.
The Journal of Physical Chemistry A.  126 (2022)  43 - p. 7997-8006 , 2022
Link: https://doi.org/10.1021/..
 
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7

Quantum chemical and experimental thermodynamic studies of ..:

Bauschlicher Jr., Charles W. ; Kowalski, Benjamin A. ; Jacobson, Nathan S.
The Journal of Chemical Physics.  157 (2022)  15 - p. , 2022
Link: https://doi.org/10.1063/..
 
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8

The reliability of the small-core lanthanide effective core..:

Bauschlicher Jr, Charles W.
Theoretical Chemistry Accounts.  141 (2022)  3 - p. , 2022
Link: https://doi.org/10.1007/..
 
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9

Erosion of refractory carbides in high‐temperature hydrogen..:

Tucker, William C. ; Bauschlicher Jr., Charles W. ; Abbott, Lauren J....
Journal of the American Ceramic Society.  104 (2021)  9 - p. 4695-4707 , 2021
Link: https://doi.org/10.1111/..
 
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10

Reaction of Singlet Oxygen with the Ethylene Group: Implica..:

Mullinax, J. Wayne ; Bauschlicher Jr., Charles W. ; Lawson, John W.
The Journal of Physical Chemistry A.  125 (2021)  14 - p. 2876-2884 , 2021
Link: https://doi.org/10.1021/..
 
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11

Thermochemistry of Gaseous Ytterbium and Gadolinium Hydroxi..:

Bauschlicher Jr., Charles W. ; Jacobson, Nathan S.
The Journal of Physical Chemistry A.  125 (2021)  14 - p. 2913-2922 , 2021
Link: https://doi.org/10.1021/..
 
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12

Thermodynamics of high‐temperature aluminum, zirconium, and..:

Bauschlicher Jr., Charles W. ; Bodenschatz, Cameron J. ; Myers, Dwight L..
Journal of the American Ceramic Society.  103 (2020)  10 - p. 5870-5880 , 2020
Link: https://doi.org/10.1111/..
 
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13

Suppression of Parasitic Chemistry in Li–O2 Batteries Incor..:

Arrechea, Pedro Luis ; Knudsen, Kristian B. ; Mullinax, J. Wayne...
ACS Applied Energy Materials.  3 (2020)  9 - p. 8812-8821 , 2020
Link: https://doi.org/10.1021/..
 
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14

Quantum chemical calculations of the thermochemistry of tan..:

Bauschlicher Jr., Charles W. ; Jacobson, Nathan S. ; Myers, Dwight L.
Journal of the American Ceramic Society.  102 (2019)  7 - p. 3836-3842 , 2019
Link: https://doi.org/10.1111/..
 
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15

Proton Abstraction from DMEn···X+ by OH–, O2–, and XO2–, fo..:

Bauschlicher Jr., Charles W. ; Papajak, Ewa ; Haskins, Justin B..
The Journal of Physical Chemistry A.  123 (2019)  23 - p. 4942-4947 , 2019
Link: https://doi.org/10.1021/..
 
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